SCHEMBL8626439

SCHEMBL8626439

CCOC(=O)C(C)Oc1cc(-c2n[nH]c(SC)c2CCl)c(Cl)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.37
TDP1 Q9NUW8 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TSHR P16473 3/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TRPV1 Q8NER1 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8626089 0.82 TDP1 (0.35) PPOXTDP1TSHRMAPTGAA
SCHEMBL8624942 0.74 PPOX (0.40) PPOXTDP1MEN1KMT2ATSHR
SCHEMBL3613183 0.68 PPOX (0.49) PPOXTDP1MEN1KMT2ATSHR
SCHEMBL9856871 0.67 PPOX (0.41) PPOXTDP1MEN1KMT2ATSHR
SCHEMBL9530495 0.64 NR1H4 (0.36) PPOXTSHRKDM4EALDH1A1HPGD
SCHEMBL10022853 0.63 SMN1; SMN2 (0.66) TDP1MEN1KMT2ATSHRMAPT
SCHEMBL13147651 0.63 SMN1; SMN2 (0.66) TDP1MEN1KMT2ATSHRMAPT
SCHEMBL15797706 0.63 SMN1; SMN2 (0.66) TDP1MEN1KMT2ATSHRMAPT
SCHEMBL11340856 0.63 SMN1; SMN2 (0.51) PPOXTDP1MEN1KMT2ATSHR
SCHEMBL10727785 0.62 PPOX (0.46) PPOXTDP1MEN1KMT2ATSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0443059-B1 3-(Substituted phenyl)pyrazole derivatives, salts thereof, herbicides therefrom, and process for producing said derivatives or salts NIHON NOHYAKU CO LTD (JP) 1998-06-17 EP disclosed